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<p><font face="Helvetica, Arial, sans-serif">Hi,</font></p>
<p><font face="Helvetica, Arial, sans-serif">This did not work. By
including:</font></p>
<p><font face="Helvetica, Arial, sans-serif">....</font></p>
<p><font face="Helvetica, Arial, sans-serif"> &system<br>
ibrav=-13<br>
space_group=12<br>
unique_b=.true.<br>
A=14.3100,B=6.3383,C=10.1995,cosAC=-0.70644<br>
.....</font></p>
<p>this error appeared:</p>
<p> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
Error in routine read_namelists (19):<br>
bad line in namelist &system: " unique_b=.true."
(error could be in the previous line)<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
</p>
What should be done?<br>
Thanks in advance,<br>
JC Conesa<br>
<br>
<div class="moz-cite-prefix">El 25/01/2018 a las 18:12, Paolo
Giannozzi escribió:<br>
</div>
<blockquote type="cite"
cite="mid:CAPMgbCuY41jd6Ax8OgShkLrJhFd_qTqVkcLG6moYCvg82VyBoA@mail.gmail.com">
<div dir="ltr">On Thu, Jan 25, 2018 at 5:34 PM, José Carlos Conesa
<span dir="ltr"><<a href="mailto:jcconesa@icp.csic.es"
target="_blank" moz-do-not-send="true">jcconesa@icp.csic.es</a>></span>
wrote:<br>
<div class="gmail_extra">
<div class="gmail_quote">
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Input ibrav not compatible with space group number</blockquote>
<div> </div>
<div>You may need to specify "unique_b=.true."<br>
</div>
<br>
</div>
-- <br>
<div class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche
Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine,
Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
</div>
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<pre wrap="">_______________________________________________
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<br>
<pre class="moz-signature" cols="72">--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Cantoblanco
28049 Madrid, Spain
Tel. (+34)915854766</pre>
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